N-[1-(imidazole-1-carbonyl)piperidin-3-yl]methanesulfonamide

C10H16N4O3S — CID 113225834

IUPACN-[1-(imidazole-1-carbonyl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)n2ccnc2)C1
InChIInChI=1S/C10H16N4O3S/c1-18(16,17)12-9-3-2-5-13(7-9)10(15)14-6-4-11-8-14/h4,6,8-9,12H,2-3,5,7H2,1H3
InChIKeyZCTZRRQLBYUXKE-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.14
Rot. Bonds2

About N-[1-(imidazole-1-carbonyl)piperidin-3-yl]methanesulfonamide

N-[1-(imidazole-1-carbonyl)piperidin-3-yl]methanesulfonamide (PubChem CID 113225834) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-[1-(imidazole-1-carbonyl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(imidazole-1-carbonyl)piperidin-3-yl]methanesulfonamide
PubChem CID113225834
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC NameN-[1-(imidazole-1-carbonyl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)n2ccnc2)C1
InChIInChI=1S/C10H16N4O3S/c1-18(16,17)12-9-3-2-5-13(7-9)10(15)14-6-4-11-8-14/h4,6,8-9,12H,2-3,5,7H2,1H3
InChIKeyZCTZRRQLBYUXKE-UHFFFAOYSA-N
XLogP-0.14
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(imidazole-1-carbonyl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(imidazole-1-carbonyl)piperidin-3-yl]methanesulfonamide (CID 113225834) is N-[1-(imidazole-1-carbonyl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(imidazole-1-carbonyl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(imidazole-1-carbonyl)piperidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CCCN(C(=O)n2ccnc2)C1.
What is the InChIKey of N-[1-(imidazole-1-carbonyl)piperidin-3-yl]methanesulfonamide?
The InChIKey is ZCTZRRQLBYUXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-18(16,17)12-9-3-2-5-13(7-9)10(15)14-6-4-11-8-14/h4,6,8-9,12H,2-3,5,7H2,1H3.
What are the key properties of N-[1-(imidazole-1-carbonyl)piperidin-3-yl]methanesulfonamide?
N-[1-(imidazole-1-carbonyl)piperidin-3-yl]methanesulfonamide has a molecular weight of 272.33 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(imidazole-1-carbonyl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 113225834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).